2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone

C15H19Cl2NO2 — CID 116587823

IUPAC2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-2-5-18-14-9-20-8-12(14)15(19)7-10-6-11(16)3-4-13(10)17/h3-4,6,12,14,18H,2,5,7-9H2,1H3
InChIKeyUFUOBYFMEVICHD-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.12
Rot. Bonds6

About 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone

2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone (PubChem CID 116587823) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
PubChem CID116587823
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-2-5-18-14-9-20-8-12(14)15(19)7-10-6-11(16)3-4-13(10)17/h3-4,6,12,14,18H,2,5,7-9H2,1H3
InChIKeyUFUOBYFMEVICHD-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669
2-(3-bromo-2,6-difluorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 106272670
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
N-(2,6-dichloro-3-methylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66257067
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114736916
2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588089
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254611
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587915

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone (CID 116587823) is 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone is CCCNC1COCC1C(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The InChIKey is UFUOBYFMEVICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-5-18-14-9-20-8-12(14)15(19)7-10-6-11(16)3-4-13(10)17/h3-4,6,12,14,18H,2,5,7-9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone has a molecular weight of 316.23 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116587823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).